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85541-63-5

85541-63-5 | L-Proline, 1-[N-(5-oxo-L-prolyl)-L-isoleucyl]-

CAS No: 85541-63-5 Catalog No: AG004R31 MDL No:

Product Description

Catalog Number:
AG004R31
Chemical Name:
L-Proline, 1-[N-(5-oxo-L-prolyl)-L-isoleucyl]-
CAS Number:
85541-63-5
Molecular Formula:
C16H25N3O5
Molecular Weight:
339.3868
IUPAC Name:
(2S)-1-[(2S,3S)-3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C16H25N3O5/c1-3-9(2)13(18-14(21)10-6-7-12(20)17-10)15(22)19-8-4-5-11(19)16(23)24/h9-11,13H,3-8H2,1-2H3,(H,17,20)(H,18,21)(H,23,24)/t9-,10-,11-,13-/m0/s1
InChI Key:
FZSKAWRHNSBBBM-ZPFDUUQYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]1CCC(=O)N1)C

Properties

Complexity:
536  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
339.179g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
339.392g/mol
Monoisotopic Mass:
339.179g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

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